Solid-State Structures of Base-Free Rubidium and Cesium Pentamethylcyclopentadienides. Determination by High-Resolution Powder Diffraction

2008 ◽  
Vol 27 (20) ◽  
pp. 5398-5400 ◽  
Author(s):  
Ulrich Behrens ◽  
Robert E. Dinnebier ◽  
Swen Neander ◽  
Falk Olbrich
Keyword(s):  
Solid State ◽  
High Resolution ◽  
Powder Diffraction ◽  
Solid State Structures

Decaphenylferrocene

1995 ◽  
Vol 48 (4) ◽  
pp. 851 ◽  
Author(s):  
LD Field ◽  
TW Hambley ◽  
PA Humphrey ◽  
CM Lindall ◽  
GJ Gainsford ◽  
...  
Keyword(s):  
Solid State ◽  
High Resolution ◽  
Vibrational Spectroscopy ◽  
Powder Diffraction ◽  
Photoelectron Spectroscopy ◽  
Mossbauer Spectroscopy ◽  
57Fe Mössbauer Spectroscopy ◽  
X Ray ◽  
57Fe Mössbauer ◽  
57Fe Mossbauer Spectroscopy

Decaphenylferrocene was obtained as an extremely insoluble, maroon microcrystalline solid by heating [(η5-C5Ph5)((η6-C6H5)C5Ph4)Fe], and was characterized by 57Fe Mossbauer spectroscopy, X-ray photoelectron spectroscopy, mass, electronic and vibrational spectroscopy, solid-state 13C n.m.r. spectroscopy and high-resolution X-ray powder diffraction, which showed it to be isostructural with decaphenylnickelocene.

scholarly journals NMR crystallography driven structure determination

2014 ◽  
Vol 70 (a1) ◽  
pp. C1517-C1517
Author(s):  
Charlotte Martineau ◽  
Boris Bouchevreau ◽  
Francis Taulelle
Keyword(s):  
Solid State ◽  
High Resolution ◽  
Powder Diffraction ◽  
Structure Determination ◽  
Pulse Sequences ◽  
Local Order ◽  
Oh Groups ◽  
Nmr Data ◽  
Wide Range ◽  
Hybrid Solids

Because solid-state nuclear magnetic resonance (ss-NMR) spectroscopy is sensitive to local order and is selective to the nature of the atoms, this technique has emerged as ideally complementary to powder diffraction for structure determination of a wide range of solids. Here, we will illustrate with the example of hybrid solids (aluminophosphates) the role of high-resolution one and two-dimensional solid-state NMR data to drive the search for a structure model from powder diffraction data. Great progresses have been made in the field of ss-NMR in the past few years (higher magnetic field, more robust pulse sequences, etc.) that now allows access to NMR spectra with very high resolution in such compounds [1]. From these NMR data, information about the cations (number, coordination number, etc) and the connectivity between the cation polyhedra are readily available. Such knowledge allows performing a more constraint structure search, thus increasing the chance to obtain a solution [2]. NMR data further provide information about the non-periodic sub-networks in hybrid compounds (water molecules, OH groups, templates...), allowing to draw very detailed pictures of the solids [3].

The combination of synchrotron powder diffraction and high-resolution solid-state NMR experiments

1991 ◽  
Vol 52 (10) ◽  
pp. 1235-1241 ◽  
Author(s):  
Hermann Gies ◽  
Bernd Marler ◽  
Colin Fyfe ◽  
George Kokotailo ◽  
Y. Feng ◽  
...  
Keyword(s):  
Solid State ◽  
High Resolution ◽  
Powder Diffraction ◽  
Solid State Nmr ◽  
Synchrotron Powder Diffraction

Single-phase Na1.0TiO2: solid-state synthesis and characterisation by high-resolution powder diffraction

1996 ◽  
pp. 409 ◽  
Author(s):  
S. J. Clarke ◽  
A. C. Duggan ◽  
A. J. Fowkes ◽  
A. Harrison ◽  
R. M. Ibberson ◽  
...  
Keyword(s):  
Solid State ◽  
High Resolution ◽  
Powder Diffraction ◽  
Single Phase ◽  
Solid State Synthesis

In situsimultaneous Raman/high-resolution X-ray powder diffraction study of transformations occurring in materials at non-ambient conditions

2007 ◽  
Vol 40 (4) ◽  
pp. 684-693 ◽  
Author(s):  
Enrico Boccaleri ◽  
Fabio Carniato ◽  
Gianluca Croce ◽  
Davide Viterbo ◽  
Wouter van Beek ◽  
...  
Keyword(s):  
Solid State ◽  
High Resolution ◽  
Powder Diffraction ◽  
Added Value ◽  
Experimental Setup ◽  
Ambient Conditions ◽  
X Ray ◽  
Uv Lamp ◽  
Kinetics Of

Materials containing disordered moieties and/or amorphous or liquid-like phases or showing surface- or defect-related phenomena constitute a problem with respect to their characterization using X-ray powder diffraction (XRPD), and in many cases Raman spectroscopy can provide useful complementary information. A novel experimental setup has been designed and realized for simultaneousin situRaman/high-resolution XRPD experiments, to take full advantage of the complementarities of the two techniques in investigating solid-state transformations under non-ambient conditions. The added value of the proposed experiment is the perfect synchronization of the two probes with the reaction coordinate and the elimination of possible bias caused by different sample holders and conditioning modes used in `in situbut separate' approaches. The setup was tested on three solid-state transformations: (i) the kinetics of the fluorene–TCNQ solid-state synthesis, (ii) the thermal swelling and degradation of stearate–hydrotalcite, and (iii) the photoinduced (2 + 2)-cyclization of (E)-furylidenoxindole. These experiments demonstrated that, even though the simultaneous Raman/XRPD experiment is more challenging than separate procedures, high-resolution XRPD and Raman data can be collected. A gas blower allows studies from room temperature to 700 K, and 100 K can be reached using a nitrogen cryostream. The flexibility of the experimental setup allows the addition of ancillary devices, such as a UV lamp used to study photoreactivity.

Solid state structures of phenylpyruvates as studied by high resolution 13C NMR spectroscopy

1993 ◽  
Vol 49 (1) ◽  
pp. 125-133 ◽  
Author(s):  
Akio Kuwae ◽  
Kazuhiko Hanai ◽  
Kaoru Oyama ◽  
Masazumi Uchino ◽  
Ho-Hi Lee
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
High Resolution ◽  
13C Nmr ◽  
13C Nmr Spectroscopy ◽  
Solid State Structures
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